Organoheterocyclic compounds
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2-Amino-5-bromo-3-nitropyridine, 97%
CAS: 6945-68-2 Molecular Formula: C5H4BrN3O2 Molecular Weight (g/mol): 218.01 MDL Number: MFCD00047441 InChI Key: QOOCOFOGYRQPPN-UHFFFAOYSA-N Synonym: 2-amino-5-bromo-3-nitropyridine,5-bromo-3-nitro-pyridin-2-ylamine,5-bromo-3-nitro-2-pyridylamine,2-amino-3-nitro-5-bromopyridine,2-pyridinamine, 5-bromo-3-nitro,5-bromo-3-nitro-2-pyridinamine,pubchem1105,maybridge1_001193,acmc-1b8cy,ksc496e6b PubChem CID: 138878 IUPAC Name: 5-bromo-3-nitropyridin-2-amine SMILES: NC1=NC=C(Br)C=C1[N+]([O-])=O
| PubChem CID | 138878 |
|---|---|
| CAS | 6945-68-2 |
| Molecular Weight (g/mol) | 218.01 |
| MDL Number | MFCD00047441 |
| SMILES | NC1=NC=C(Br)C=C1[N+]([O-])=O |
| Synonym | 2-amino-5-bromo-3-nitropyridine,5-bromo-3-nitro-pyridin-2-ylamine,5-bromo-3-nitro-2-pyridylamine,2-amino-3-nitro-5-bromopyridine,2-pyridinamine, 5-bromo-3-nitro,5-bromo-3-nitro-2-pyridinamine,pubchem1105,maybridge1_001193,acmc-1b8cy,ksc496e6b |
| IUPAC Name | 5-bromo-3-nitropyridin-2-amine |
| InChI Key | QOOCOFOGYRQPPN-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrN3O2 |
2-(1-Naphthyl)-5-phenyloxazole, laser grade and suitable for scintillation spectrometry, 99+%
CAS: 846-63-9 Molecular Formula: C19H13NO Molecular Weight (g/mol): 271.319 MDL Number: MFCD00019714 InChI Key: WWVFJJKBBZXWFV-UHFFFAOYSA-N Synonym: 2-1-naphthyl-5-phenyloxazole,alpha-npo,oxazole, 2-1-naphthalenyl-5-phenyl,2-1-naphthyl-5-phenyl-1,3-oxazole,2-naphthalen-1-yl-5-phenyloxazole,oxazole, 2-1-naphthyl-5-phenyl,.alpha.-npo,anpo,2-alpha-naphthyl-5-phenyloxazole,2-naphthalen-1-yl-5-phenyl-1,3-oxazole PubChem CID: 70058 IUPAC Name: 2-naphthalen-1-yl-5-phenyl-1,3-oxazole SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43
| PubChem CID | 70058 |
|---|---|
| CAS | 846-63-9 |
| Molecular Weight (g/mol) | 271.319 |
| MDL Number | MFCD00019714 |
| SMILES | C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43 |
| Synonym | 2-1-naphthyl-5-phenyloxazole,alpha-npo,oxazole, 2-1-naphthalenyl-5-phenyl,2-1-naphthyl-5-phenyl-1,3-oxazole,2-naphthalen-1-yl-5-phenyloxazole,oxazole, 2-1-naphthyl-5-phenyl,.alpha.-npo,anpo,2-alpha-naphthyl-5-phenyloxazole,2-naphthalen-1-yl-5-phenyl-1,3-oxazole |
| IUPAC Name | 2-naphthalen-1-yl-5-phenyl-1,3-oxazole |
| InChI Key | WWVFJJKBBZXWFV-UHFFFAOYSA-N |
| Molecular Formula | C19H13NO |
alpha-Bromo-gamma-butyrolactone, 97%
CAS: 5061-21-2 Molecular Formula: C4H5BrO2 Molecular Weight (g/mol): 164.99 MDL Number: MFCD00005387 InChI Key: LFJJGHGXHXXDFT-UHFFFAOYNA-N Synonym: 2-bromo-4-butanolide,alpha-bromo-gamma-butyrolactone,2-bromobutyrolactone,3-bromodihydrofuran-2 3h-one,2 3h-furanone, 3-bromodihydro,3-bromo-2-furanone,bromobutyrolactone,2 3h-furanone, bromodihydro,.alpha.-bromo-.gamma.-butyrolactone,.alpha.-bromobutyrolactone PubChem CID: 95463 IUPAC Name: 3-bromooxolan-2-one SMILES: BrC1CCOC1=O
| PubChem CID | 95463 |
|---|---|
| CAS | 5061-21-2 |
| Molecular Weight (g/mol) | 164.99 |
| MDL Number | MFCD00005387 |
| SMILES | BrC1CCOC1=O |
| Synonym | 2-bromo-4-butanolide,alpha-bromo-gamma-butyrolactone,2-bromobutyrolactone,3-bromodihydrofuran-2 3h-one,2 3h-furanone, 3-bromodihydro,3-bromo-2-furanone,bromobutyrolactone,2 3h-furanone, bromodihydro,.alpha.-bromo-.gamma.-butyrolactone,.alpha.-bromobutyrolactone |
| IUPAC Name | 3-bromooxolan-2-one |
| InChI Key | LFJJGHGXHXXDFT-UHFFFAOYNA-N |
| Molecular Formula | C4H5BrO2 |
4-Hydroxyquinazoline, 98%
CAS: 491-36-1 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.149 MDL Number: MFCD00511302 InChI Key: QMNUDYFKZYBWQX-UHFFFAOYSA-N Synonym: 4-hydroxyquinazoline,4-quinazolinol,quinazolin-4-ol,quinazolin-4 3h-one,4 3h-quinazolinone,4-quinazolone,4-quinazolinone,4 1h-quinazolinone,4-oxoquinazoline,3,4-dihydroquinazolin-4-one PubChem CID: 63112 IUPAC Name: 1H-quinazolin-4-one SMILES: C1=CC=C2C(=C1)C(=O)N=CN2
| PubChem CID | 63112 |
|---|---|
| CAS | 491-36-1 |
| Molecular Weight (g/mol) | 146.149 |
| MDL Number | MFCD00511302 |
| SMILES | C1=CC=C2C(=C1)C(=O)N=CN2 |
| Synonym | 4-hydroxyquinazoline,4-quinazolinol,quinazolin-4-ol,quinazolin-4 3h-one,4 3h-quinazolinone,4-quinazolone,4-quinazolinone,4 1h-quinazolinone,4-oxoquinazoline,3,4-dihydroquinazolin-4-one |
| IUPAC Name | 1H-quinazolin-4-one |
| InChI Key | QMNUDYFKZYBWQX-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
Methyl 2,1,3-benzothiadiazole-5-carboxylate, 98%
CAS: 175204-21-4 Molecular Formula: C8H6N2O2S Molecular Weight (g/mol): 194.21 MDL Number: MFCD00173948 InChI Key: LRMFSMKHXKDUDG-UHFFFAOYSA-N Synonym: methyl benzo-2,1,3-thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylicacid, methyl ester,methyl benzo c 1,2,5-thiadiazole-5-carboxylate,acmc-20akfm,methylbenzo-2,1,3-thiadiazole-5-carboxylate,methyl benzo 1,2,5 thiadiazole-5-carboxylate,methyl benzo c 1,2,5 thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylic acid methyl ester,benzo 1,2,5 thiadiazole-5-carboxylic acid methyl ester PubChem CID: 696381 IUPAC Name: methyl 2,1,3-benzothiadiazole-5-carboxylate SMILES: COC(=O)C1=CC2=NSN=C2C=C1
| PubChem CID | 696381 |
|---|---|
| CAS | 175204-21-4 |
| Molecular Weight (g/mol) | 194.21 |
| MDL Number | MFCD00173948 |
| SMILES | COC(=O)C1=CC2=NSN=C2C=C1 |
| Synonym | methyl benzo-2,1,3-thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylicacid, methyl ester,methyl benzo c 1,2,5-thiadiazole-5-carboxylate,acmc-20akfm,methylbenzo-2,1,3-thiadiazole-5-carboxylate,methyl benzo 1,2,5 thiadiazole-5-carboxylate,methyl benzo c 1,2,5 thiadiazole-5-carboxylate,2,1,3-benzothiadiazole-5-carboxylic acid methyl ester,benzo 1,2,5 thiadiazole-5-carboxylic acid methyl ester |
| IUPAC Name | methyl 2,1,3-benzothiadiazole-5-carboxylate |
| InChI Key | LRMFSMKHXKDUDG-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2S |
2-Aminopyrazine, 99%
CAS: 5049-61-6 Molecular Formula: C4H5N3 Molecular Weight (g/mol): 95.105 MDL Number: MFCD00006137 InChI Key: XFTQRUTUGRCSGO-UHFFFAOYSA-N Synonym: 2-aminopyrazine,aminopyrazine,pyrazinamine,2-pyrazinamine,pyrazin-2-ylamine,pyrazine-2-ylamine,pyrazine, 2-amino,amino pyrazine,3-aminopyrazine,iminopyrazine PubChem CID: 78747 IUPAC Name: pyrazin-2-amine SMILES: C1=CN=C(C=N1)N
| PubChem CID | 78747 |
|---|---|
| CAS | 5049-61-6 |
| Molecular Weight (g/mol) | 95.105 |
| MDL Number | MFCD00006137 |
| SMILES | C1=CN=C(C=N1)N |
| Synonym | 2-aminopyrazine,aminopyrazine,pyrazinamine,2-pyrazinamine,pyrazin-2-ylamine,pyrazine-2-ylamine,pyrazine, 2-amino,amino pyrazine,3-aminopyrazine,iminopyrazine |
| IUPAC Name | pyrazin-2-amine |
| InChI Key | XFTQRUTUGRCSGO-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3 |
Indole-5-carboxylic acid, 98%
CAS: 1670-81-1 Molecular Formula: C9H6NO2 Molecular Weight (g/mol): 160.15 MDL Number: MFCD00005678 InChI Key: IENZCGNHSIMFJE-UHFFFAOYSA-M Synonym: indole-5-carboxylic acid,5-carboxyindole,5-indolecarboxylic acid,indole-5-carboxylic aicd,pubchem1694,5-carboxy-1h-indole,indole-5-carboxylicacid,indol-5-carboxylic acid,5-indole carboxylic acid,indole 5-carboxylic acid PubChem CID: 74280 IUPAC Name: 1H-indole-5-carboxylic acid SMILES: [O-]C(=O)C1=CC=C2NC=CC2=C1
| PubChem CID | 74280 |
|---|---|
| CAS | 1670-81-1 |
| Molecular Weight (g/mol) | 160.15 |
| MDL Number | MFCD00005678 |
| SMILES | [O-]C(=O)C1=CC=C2NC=CC2=C1 |
| Synonym | indole-5-carboxylic acid,5-carboxyindole,5-indolecarboxylic acid,indole-5-carboxylic aicd,pubchem1694,5-carboxy-1h-indole,indole-5-carboxylicacid,indol-5-carboxylic acid,5-indole carboxylic acid,indole 5-carboxylic acid |
| IUPAC Name | 1H-indole-5-carboxylic acid |
| InChI Key | IENZCGNHSIMFJE-UHFFFAOYSA-M |
| Molecular Formula | C9H6NO2 |
5,6-Dichloro-2-mercaptobenzimidazole, 98%
CAS: 19462-98-7 Molecular Formula: C7H4Cl2N2S Molecular Weight (g/mol): 219.083 MDL Number: MFCD00052398 InChI Key: AFDOMGKBKBKUHB-UHFFFAOYSA-N PubChem CID: 2774259 IUPAC Name: 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione SMILES: C1=C2C(=CC(=C1Cl)Cl)NC(=S)N2
| PubChem CID | 2774259 |
|---|---|
| CAS | 19462-98-7 |
| Molecular Weight (g/mol) | 219.083 |
| MDL Number | MFCD00052398 |
| SMILES | C1=C2C(=CC(=C1Cl)Cl)NC(=S)N2 |
| IUPAC Name | 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione |
| InChI Key | AFDOMGKBKBKUHB-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2N2S |
Ethyl 2-chloronicotinate, 98%
CAS: 1452-94-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.607 MDL Number: MFCD00674129 InChI Key: PMIMPBYTPPRBGD-UHFFFAOYSA-N Synonym: ethyl 2-chloronicotinate,2-chloronicotinic acid ethyl ester,ethyl-2-chloronicotinate,2-chloro-nicotinic acid ethyl ester,ethyl 2-chloro-3-pyridinecarboxylate,3-pyridinecarboxylic acid, 2-chloro-, ethyl ester,2-chloro-3-pyridinecarboxylic acid ethyl ester,ethyl 2chloronicotinate,acmc-1brbe,ethyl 2-chloro-nicotinate PubChem CID: 2796614 IUPAC Name: ethyl 2-chloropyridine-3-carboxylate SMILES: CCOC(=O)C1=C(N=CC=C1)Cl
| PubChem CID | 2796614 |
|---|---|
| CAS | 1452-94-4 |
| Molecular Weight (g/mol) | 185.607 |
| MDL Number | MFCD00674129 |
| SMILES | CCOC(=O)C1=C(N=CC=C1)Cl |
| Synonym | ethyl 2-chloronicotinate,2-chloronicotinic acid ethyl ester,ethyl-2-chloronicotinate,2-chloro-nicotinic acid ethyl ester,ethyl 2-chloro-3-pyridinecarboxylate,3-pyridinecarboxylic acid, 2-chloro-, ethyl ester,2-chloro-3-pyridinecarboxylic acid ethyl ester,ethyl 2chloronicotinate,acmc-1brbe,ethyl 2-chloro-nicotinate |
| IUPAC Name | ethyl 2-chloropyridine-3-carboxylate |
| InChI Key | PMIMPBYTPPRBGD-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO2 |
3-Ethoxythiophene-2-carboxylic acid, 97%
CAS: 139926-23-1 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.198 MDL Number: MFCD00205205 InChI Key: FTKDCOINUAYGTC-UHFFFAOYSA-N PubChem CID: 2777652 IUPAC Name: 3-ethoxythiophene-2-carboxylic acid SMILES: CCOC1=C(SC=C1)C(=O)O
| PubChem CID | 2777652 |
|---|---|
| CAS | 139926-23-1 |
| Molecular Weight (g/mol) | 172.198 |
| MDL Number | MFCD00205205 |
| SMILES | CCOC1=C(SC=C1)C(=O)O |
| IUPAC Name | 3-ethoxythiophene-2-carboxylic acid |
| InChI Key | FTKDCOINUAYGTC-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
2,4-Diamino-6-hydroxypyrimidine, 96%
CAS: 56-06-4 Molecular Formula: C4H6N4O Molecular Weight (g/mol): 126.119 MDL Number: MFCD00006098 InChI Key: SWELIMKTDYHAOY-UHFFFAOYSA-N Synonym: 2,4-diamino-6-hydroxypyrimidine,2,6-diaminopyrimidin-4-ol,2,6-diaminopyrimidin-4 1h-one,2,6-diamino-4-pyrimidinol,2,6-diamino-4-hydroxypyrimidine,2,6-diaminopyrimidin-4 3h-one,2,6-diamino-4-pyrimidinone,4 1h-pyrimidinone, 2,6-diamino,2,4-diaminohypoxanthine,6-aminoisocytosine PubChem CID: 2944 IUPAC Name: 2,6-diamino-1H-pyrimidin-4-one SMILES: C1=C(NC(=NC1=O)N)N
| PubChem CID | 2944 |
|---|---|
| CAS | 56-06-4 |
| Molecular Weight (g/mol) | 126.119 |
| MDL Number | MFCD00006098 |
| SMILES | C1=C(NC(=NC1=O)N)N |
| Synonym | 2,4-diamino-6-hydroxypyrimidine,2,6-diaminopyrimidin-4-ol,2,6-diaminopyrimidin-4 1h-one,2,6-diamino-4-pyrimidinol,2,6-diamino-4-hydroxypyrimidine,2,6-diaminopyrimidin-4 3h-one,2,6-diamino-4-pyrimidinone,4 1h-pyrimidinone, 2,6-diamino,2,4-diaminohypoxanthine,6-aminoisocytosine |
| IUPAC Name | 2,6-diamino-1H-pyrimidin-4-one |
| InChI Key | SWELIMKTDYHAOY-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4O |
4,5-Dibromo-3(2H)-pyridazinone, 98%
CAS: 5788-58-9 Molecular Formula: C4H2Br2N2O Molecular Weight (g/mol): 253.881 MDL Number: MFCD00023641 InChI Key: AGLQURQNVJVJNB-UHFFFAOYSA-N Synonym: 4,5-dibromopyridazin-3 2h-one,4,5-dibromo-3 2h-pyridazinone,4,5-dibromopyridazin-3-one,4,5-dibromopyridazine-3 2h-one,4,5-dibromopyridazin-3-ol,4,5-dibromo-2,3-dihydropyridazin-3-one,3 2h-pyridazinone, 4,5-dibromo,4,5-dibromo-2h-pyridazin-3-one,4,5-dibromo-2-hydropyridazin-3-one PubChem CID: 236181 IUPAC Name: 4,5-dibromo-1H-pyridazin-6-one SMILES: C1=NNC(=O)C(=C1Br)Br
| PubChem CID | 236181 |
|---|---|
| CAS | 5788-58-9 |
| Molecular Weight (g/mol) | 253.881 |
| MDL Number | MFCD00023641 |
| SMILES | C1=NNC(=O)C(=C1Br)Br |
| Synonym | 4,5-dibromopyridazin-3 2h-one,4,5-dibromo-3 2h-pyridazinone,4,5-dibromopyridazin-3-one,4,5-dibromopyridazine-3 2h-one,4,5-dibromopyridazin-3-ol,4,5-dibromo-2,3-dihydropyridazin-3-one,3 2h-pyridazinone, 4,5-dibromo,4,5-dibromo-2h-pyridazin-3-one,4,5-dibromo-2-hydropyridazin-3-one |
| IUPAC Name | 4,5-dibromo-1H-pyridazin-6-one |
| InChI Key | AGLQURQNVJVJNB-UHFFFAOYSA-N |
| Molecular Formula | C4H2Br2N2O |
5,5-Diphenylhydantoin, 99%
CAS: 57-41-0 Molecular Formula: C15H12N2O2 Molecular Weight (g/mol): 252.273 MDL Number: MFCD00005264 InChI Key: CXOFVDLJLONNDW-UHFFFAOYSA-N Synonym: phenytoin,5,5-diphenylhydantoin,diphenylhydantoin,dilantin,phenytoine,dihydantoin,aleviatin,dilabid,diphantoin,diphenylan PubChem CID: 1775 ChEBI: CHEBI:8107 IUPAC Name: 5,5-diphenylimidazolidine-2,4-dione SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
| PubChem CID | 1775 |
|---|---|
| CAS | 57-41-0 |
| Molecular Weight (g/mol) | 252.273 |
| ChEBI | CHEBI:8107 |
| MDL Number | MFCD00005264 |
| SMILES | C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 |
| Synonym | phenytoin,5,5-diphenylhydantoin,diphenylhydantoin,dilantin,phenytoine,dihydantoin,aleviatin,dilabid,diphantoin,diphenylan |
| IUPAC Name | 5,5-diphenylimidazolidine-2,4-dione |
| InChI Key | CXOFVDLJLONNDW-UHFFFAOYSA-N |
| Molecular Formula | C15H12N2O2 |
2,2':5',2″-Terthiophene, 99%
CAS: 1081-34-1 Molecular Formula: C12H8S3 Molecular Weight (g/mol): 248.376 MDL Number: MFCD00012167 InChI Key: KXSFECAJUBPPFE-UHFFFAOYSA-N Synonym: 2,2':5',2-terthiophene,alpha-terthienyl,alpha-terthiophene,2,5-di 2-thienyl thiophene,2,2',5',2-terthienyl,2,5-bis 2-thienyl thiophene,unii-0p77rau2rr,2,2'-5',2-terthiophene,0p77rau2rr,2,2':5',2-terthienyl PubChem CID: 65067 ChEBI: CHEBI:10335 IUPAC Name: 2,5-dithiophen-2-ylthiophene SMILES: C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3
| PubChem CID | 65067 |
|---|---|
| CAS | 1081-34-1 |
| Molecular Weight (g/mol) | 248.376 |
| ChEBI | CHEBI:10335 |
| MDL Number | MFCD00012167 |
| SMILES | C1=CSC(=C1)C2=CC=C(S2)C3=CC=CS3 |
| Synonym | 2,2':5',2-terthiophene,alpha-terthienyl,alpha-terthiophene,2,5-di 2-thienyl thiophene,2,2',5',2-terthienyl,2,5-bis 2-thienyl thiophene,unii-0p77rau2rr,2,2'-5',2-terthiophene,0p77rau2rr,2,2':5',2-terthienyl |
| IUPAC Name | 2,5-dithiophen-2-ylthiophene |
| InChI Key | KXSFECAJUBPPFE-UHFFFAOYSA-N |
| Molecular Formula | C12H8S3 |
Dibenzofuran, 98%
CAS: 132-64-9 Molecular Formula: C12H8O Molecular Weight (g/mol): 168.195 MDL Number: MFCD00004968 InChI Key: TXCDCPKCNAJMEE-UHFFFAOYSA-N Synonym: dibenzo b,d furan,diphenylene oxide,2,2'-biphenylene oxide,2,2'-biphenylylene oxide,dibenzofurans,dibenzol b,d furan,dibenzofurane,1,1'-biphenyl-2,2'-diyl oxide PubChem CID: 568 ChEBI: CHEBI:28145 IUPAC Name: dibenzofuran SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3O2
| PubChem CID | 568 |
|---|---|
| CAS | 132-64-9 |
| Molecular Weight (g/mol) | 168.195 |
| ChEBI | CHEBI:28145 |
| MDL Number | MFCD00004968 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3O2 |
| Synonym | dibenzo b,d furan,diphenylene oxide,2,2'-biphenylene oxide,2,2'-biphenylylene oxide,dibenzofurans,dibenzol b,d furan,dibenzofurane,1,1'-biphenyl-2,2'-diyl oxide |
| IUPAC Name | dibenzofuran |
| InChI Key | TXCDCPKCNAJMEE-UHFFFAOYSA-N |
| Molecular Formula | C12H8O |